4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide

C15H18F3N3O3S — CID 19584350

IUPAC4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H18F3N3O3S/c1-11-10-14(15(16,17)18)20-21(11)9-3-8-19-25(22,23)13-6-4-12(24-2)5-7-13/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyNBSNRYVREHHOQN-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.59
Rot. Bonds7

About 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide

4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide (PubChem CID 19584350) has the molecular formula C15H18F3N3O3S and a molecular weight of 377.39 g/mol. Its IUPAC name is 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
PubChem CID19584350
Molecular FormulaC15H18F3N3O3S
Molecular Weight377.39 g/mol
Exact Mass377.10
IUPAC Name4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H18F3N3O3S/c1-11-10-14(15(16,17)18)20-21(11)9-3-8-19-25(22,23)13-6-4-12(24-2)5-7-13/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyNBSNRYVREHHOQN-UHFFFAOYSA-N
XLogP2.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide (CID 19584350) is 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)cc2C)cc1.
What is the InChIKey of 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
The InChIKey is NBSNRYVREHHOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3S/c1-11-10-14(15(16,17)18)20-21(11)9-3-8-19-25(22,23)13-6-4-12(24-2)5-7-13/h4-7,10,19H,3,8-9H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide?
4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 19584350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).